CID 7017108

1093649-71-8

Structural Information

Molecular Formula
C8H15N3
SMILES
CC(C)(C)C1=NNC(=C1)CN
InChI
InChI=1S/C8H15N3/c1-8(2,3)7-4-6(5-9)10-11-7/h4H,5,9H2,1-3H3,(H,10,11)
InChIKey
UPXAEMPLVMJWAL-UHFFFAOYSA-N
Compound name
(3-tert-butyl-1H-pyrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

153.1266 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.13388 136.0
[M+Na]+ 176.11582 144.0
[M-H]- 152.11932 135.5
[M+NH4]+ 171.16042 155.5
[M+K]+ 192.08976 141.5
[M+H-H2O]+ 136.12386 129.7
[M+HCOO]- 198.12480 156.3
[M+CH3COO]- 212.14045 176.1
[M+Na-2H]- 174.10127 141.1
[M]+ 153.12605 133.4
[M]- 153.12715 133.4
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

patents stripe