CID 84106978

2166847-05-6

Structural Information

Molecular Formula
C7H13N3
SMILES
CC(C)C1=C(NN=C1)CN
InChI
InChI=1S/C7H13N3/c1-5(2)6-4-9-10-7(6)3-8/h4-5H,3,8H2,1-2H3,(H,9,10)
InChIKey
IQWKFOCVXIACGA-UHFFFAOYSA-N
Compound name
(4-propan-2-yl-1H-pyrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.11095 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 131.0
[M+Na]+ 162.10017 138.6
[M-H]- 138.10367 130.3
[M+NH4]+ 157.14477 150.7
[M+K]+ 178.07411 136.4
[M+H-H2O]+ 122.10821 124.1
[M+HCOO]- 184.10915 152.2
[M+CH3COO]- 198.12480 174.3
[M+Na-2H]- 160.08562 134.7
[M]+ 139.11040 127.9
[M]- 139.11150 128.0
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.