CID 146444801

(1r)-1-(1,4-dimethyl-1h-pyrazol-3-yl)-1-(1-methylcyclopentyl)methanamine hydrochloride

Structural Information

Molecular Formula
C12H21N3
SMILES
CC1=CN(N=C1[C@@H](C2(CCCC2)C)N)C
InChI
InChI=1S/C12H21N3/c1-9-8-15(3)14-10(9)11(13)12(2)6-4-5-7-12/h8,11H,4-7,13H2,1-3H3/t11-/m0/s1
InChIKey
GOYCANFBORTBTI-NSHDSACASA-N
Compound name
(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

207.17355 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.180826 148.7
[M+Na]+ 230.162768 155.6
[M-H]- 206.166274 152.6
[M+NH4]+ 225.207373 170.1
[M+K]+ 246.136708 153.4
[M+H-H2O]+ 190.170810 141.6
[M+HCOO]- 252.171751 169.4
[M+CH3COO]- 266.187401 189.2
[M+Na-2H]- 228.148216 148.9
[M]+ 207.17300142 145.7
[M]- 207.17409858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe