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

12
Patents

158.10553 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 135.6
[M+Na]+ 181.09475 141.1
[M-H]- 157.09825 135.1
[M+NH4]+ 176.13935 155.6
[M+K]+ 197.06869 140.3
[M+H-H2O]+ 141.10279 129.9
[M+HCOO]- 203.10373 160.3
[M+CH3COO]- 217.11938 180.9
[M+Na-2H]- 179.08020 140.1
[M]+ 158.10498 135.2
[M]- 158.10608 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.