CID 102550785

1-(1-isopropyl-1h-pyrazol-3-yl)-ethylamine

Structural Information

Molecular Formula
C8H15N3
SMILES
CC(C)N1C=CC(=N1)C(C)N
InChI
InChI=1S/C8H15N3/c1-6(2)11-5-4-8(10-11)7(3)9/h4-7H,9H2,1-3H3
InChIKey
LJYGIVNOQQDJEA-UHFFFAOYSA-N
Compound name
1-(1-propan-2-ylpyrazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.1266 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.13388 135.3
[M+Na]+ 176.11582 142.7
[M-H]- 152.11932 136.1
[M+NH4]+ 171.16042 155.2
[M+K]+ 192.08976 141.6
[M+H-H2O]+ 136.12386 128.2
[M+HCOO]- 198.12480 156.7
[M+CH3COO]- 212.14045 180.8
[M+Na-2H]- 174.10127 137.8
[M]+ 153.12605 133.9
[M]- 153.12715 133.9
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