CID 20460830

36178-62-8

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C=CCNCC1CC1

InChI

InChI=1S/C7H13N/c1-2-5-8-6-7-3-4-7/h2,7-8H,1,3-6H2

InChIKey

HCKGOMVEFZLDBU-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)prop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 111.1048 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]+	112.11208	123.0
[M+Na]+	134.09402	131.2
[M-H]-	110.09752	127.6
[M+NH4]+	129.13862	140.7
[M+K]+	150.06796	129.0
[M+H-H2O]+	94.102060	117.2
[M+HCOO]-	156.10300	148.1
[M+CH3COO]-	170.11865	176.2
[M+Na-2H]-	132.07947	130.6
[M]+	111.10425	124.4
[M]-	111.10535	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe