CID 11435085

1049721-72-3

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

C=CCOC(=O)NCCCN

InChI

InChI=1S/C7H14N2O2/c1-2-6-11-7(10)9-5-3-4-8/h2H,1,3-6,8H2,(H,9,10)

InChIKey

CYNLFDUVNBBRKU-UHFFFAOYSA-N

Compound name

prop-2-enyl N-(3-aminopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 158.10553 Da
Monoisotopic Mass: 0.0
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]+	159.112806	135.6
[M+Na]+	181.094748	141.1
[M-H]-	157.098254	135.1
[M+NH4]+	176.139353	155.6
[M+K]+	197.068688	140.3
[M+H-H2O]+	141.102790	129.9
[M+HCOO]-	203.103731	160.3
[M+CH3COO]-	217.119381	180.9
[M+Na-2H]-	179.080196	140.1
[M]+	158.10498142	135.2
[M]-	158.10607858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe