CID 19616568

1006319-99-8

Structural Information

Molecular Formula
C7H12ClN3
SMILES
CC(CN)CN1C=C(C=N1)Cl
InChI
InChI=1S/C7H12ClN3/c1-6(2-9)4-11-5-7(8)3-10-11/h3,5-6H,2,4,9H2,1H3
InChIKey
APRGNOBUZDBYMP-UHFFFAOYSA-N
Compound name
3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07198 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.079256 136.9
[M+Na]+ 196.061198 145.6
[M-H]- 172.064704 137.3
[M+NH4]+ 191.105803 156.7
[M+K]+ 212.035138 142.3
[M+H-H2O]+ 156.069240 130.1
[M+HCOO]- 218.070181 154.9
[M+CH3COO]- 232.085831 180.7
[M+Na-2H]- 194.046646 140.5
[M]+ 173.07143142 137.4
[M]- 173.07252858 137.4
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

No patent data available for this compound.