CID 19041828

4-cyclopropylbutan-1-amine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

C1CC1CCCCN

InChI

InChI=1S/C7H15N/c8-6-2-1-3-7-4-5-7/h7H,1-6,8H2

InChIKey

JBVMHCMMNNUPMK-UHFFFAOYSA-N

Compound name

4-cyclopropylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 262
Patents: 113.12045 Da
Monoisotopic Mass: 1.7
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	123.6
[M+Na]+	136.109668	131.6
[M-H]-	112.113174	127.7
[M+NH4]+	131.154273	141.1
[M+K]+	152.083608	129.6
[M+H-H2O]+	96.117710	117.8
[M+HCOO]-	158.118651	148.0
[M+CH3COO]-	172.134301	176.4
[M+Na-2H]-	134.095116	130.3
[M]+	113.11990142	124.7
[M]-	113.12099858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe