CID 23006006

1007515-32-3

Structural Information

Molecular Formula
C7H13N3
SMILES
CC(C)N1C=CC(=N1)CN
InChI
InChI=1S/C7H13N3/c1-6(2)10-4-3-7(5-8)9-10/h3-4,6H,5,8H2,1-2H3
InChIKey
DWVZJJWBGYDTEZ-UHFFFAOYSA-N
Compound name
(1-propan-2-ylpyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 130.2
[M+Na]+ 162.10017 138.3
[M-H]- 138.10367 131.0
[M+NH4]+ 157.14477 150.7
[M+K]+ 178.07411 137.0
[M+H-H2O]+ 122.10821 123.2
[M+HCOO]- 184.10915 153.0
[M+CH3COO]- 198.12480 176.9
[M+Na-2H]- 160.08562 134.5
[M]+ 139.11040 129.1
[M]- 139.11150 129.1
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