CID 56269

Dimethylcarbamic acid 3-phenylpropyl ester

Structural Information

Molecular Formula
C12H17NO2
SMILES
CN(C)C(=O)OCCCC1=CC=CC=C1
InChI
InChI=1S/C12H17NO2/c1-13(2)12(14)15-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
InChIKey
PWDPVPDCURNLMO-UHFFFAOYSA-N
Compound name
3-phenylpropyl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.0
[M+Na]+ 230.11515 153.6
[M-H]- 206.11865 152.6
[M+NH4]+ 225.15975 167.2
[M+K]+ 246.08909 153.2
[M+H-H2O]+ 190.12319 141.1
[M+HCOO]- 252.12413 172.8
[M+CH3COO]- 266.13978 191.4
[M+Na-2H]- 228.10060 152.9
[M]+ 207.12538 150.9
[M]- 207.12648 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.