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]+ 174.07926 136.9
[M+Na]+ 196.06120 145.6
[M-H]- 172.06470 137.3
[M+NH4]+ 191.10580 156.7
[M+K]+ 212.03514 142.3
[M+H-H2O]+ 156.06924 130.1
[M+HCOO]- 218.07018 154.9
[M+CH3COO]- 232.08583 180.7
[M+Na-2H]- 194.04665 140.5
[M]+ 173.07143 137.4
[M]- 173.07253 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.