CID 7017613

1184977-03-4

Structural Information

Molecular Formula
C5H8ClN3
SMILES
CN1C(=C(C=N1)Cl)CN
InChI
InChI=1S/C5H8ClN3/c1-9-5(2-7)4(6)3-8-9/h3H,2,7H2,1H3
InChIKey
RZXLCHNMSSOLHE-UHFFFAOYSA-N
Compound name
(4-chloro-2-methylpyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

145.04068 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04796 127.3
[M+Na]+ 168.02990 138.0
[M-H]- 144.03340 128.3
[M+NH4]+ 163.07450 148.7
[M+K]+ 184.00384 134.8
[M+H-H2O]+ 128.03794 121.2
[M+HCOO]- 190.03888 146.9
[M+CH3COO]- 204.05453 175.0
[M+Na-2H]- 166.01535 132.5
[M]+ 145.04013 128.1
[M]- 145.04123 128.1
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