CID 26722637

N-[(1-methyl-1h-pyrazol-4-yl)methyl]cyclopropanamine dihydrochloride

Structural Information

Molecular Formula
C8H13N3
SMILES
CN1C=C(C=N1)CNC2CC2
InChI
InChI=1S/C8H13N3/c1-11-6-7(5-10-11)4-9-8-2-3-8/h5-6,8-9H,2-4H2,1H3
InChIKey
TXOZZTPJCYYMEI-UHFFFAOYSA-N
Compound name
N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

151.11095 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 135.1
[M+Na]+ 174.10017 144.9
[M-H]- 150.10367 140.1
[M+NH4]+ 169.14477 150.4
[M+K]+ 190.07411 141.5
[M+H-H2O]+ 134.10821 127.2
[M+HCOO]- 196.10915 159.5
[M+CH3COO]- 210.12480 181.6
[M+Na-2H]- 172.08562 141.1
[M]+ 151.11040 136.9
[M]- 151.11150 136.9
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