CID 6363

Isopropylamine

Structural Information

Molecular Formula
C3H9N
SMILES
CC(C)N
InChI
InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
InChIKey
JJWLVOIRVHMVIS-UHFFFAOYSA-N
Compound name
propan-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

208
References

72688
Patents

59.073498 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 60.080774 110.0
[M+Na]+ 82.062716 117.4
[M-H]- 58.066222 110.4
[M+NH4]+ 77.107321 134.6
[M+K]+ 98.036656 118.1
[M+H-H2O]+ 42.070758 106.1
[M+HCOO]- 104.07170 134.2
[M+CH3COO]- 118.08735 163.0
[M+Na-2H]- 80.048164 116.6
[M]+ 59.072949 107.6
[M]- 59.074047 107.6
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.