CID 6363

Isopropylamine

Structural Information

Molecular Formula

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: 71977
Patents: 59.073498 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe