CID 4962346

1-{[4-(propan-2-yl)phenyl]methyl}-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C13H17N3
SMILES
CC(C)C1=CC=C(C=C1)CN2C(=CC=N2)N
InChI
InChI=1S/C13H17N3/c1-10(2)12-5-3-11(4-6-12)9-16-13(14)7-8-15-16/h3-8,10H,9,14H2,1-2H3
InChIKey
YXUMURJAITZODM-UHFFFAOYSA-N
Compound name
2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

215.14224 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 150.0
[M+Na]+ 238.13146 157.8
[M-H]- 214.13496 154.0
[M+NH4]+ 233.17606 167.4
[M+K]+ 254.10540 154.1
[M+H-H2O]+ 198.13950 141.6
[M+HCOO]- 260.14044 172.4
[M+CH3COO]- 274.15609 191.6
[M+Na-2H]- 236.11691 152.9
[M]+ 215.14169 149.1
[M]- 215.14279 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe