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

15
Patents

207.17355 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.18083 148.7
[M+Na]+ 230.16277 155.6
[M-H]- 206.16627 152.6
[M+NH4]+ 225.20737 170.1
[M+K]+ 246.13671 153.4
[M+H-H2O]+ 190.17081 141.6
[M+HCOO]- 252.17175 169.4
[M+CH3COO]- 266.18740 189.2
[M+Na-2H]- 228.14822 148.9
[M]+ 207.17300 145.7
[M]- 207.17410 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