CID 28064562

1255717-88-4

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC(C)C1(CC1)CN

InChI

InChI=1S/C7H15N/c1-6(2)7(5-8)3-4-7/h6H,3-5,8H2,1-2H3

InChIKey

AGGHXCYXDNEQQJ-UHFFFAOYSA-N

Compound name

(1-propan-2-ylcyclopropyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 113.12045 Da
Monoisotopic Mass: 1.2
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]+	114.127726	124.0
[M+Na]+	136.109668	132.4
[M-H]-	112.113174	128.5
[M+NH4]+	131.154273	143.4
[M+K]+	152.083608	131.7
[M+H-H2O]+	96.117710	119.6
[M+HCOO]-	158.118651	147.0
[M+CH3COO]-	172.134301	176.7
[M+Na-2H]-	134.095116	130.4
[M]+	113.11990142	124.9
[M]-	113.12099858	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe