CID 24843499

Brn 2621366

Structural Information

Molecular Formula
C12H17NO4
SMILES
COC1=C(C=C(C=C1)CCCOC(=O)N)OC
InChI
InChI=1S/C12H17NO4/c1-15-10-6-5-9(8-11(10)16-2)4-3-7-17-12(13)14/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14)
InChIKey
NMCULMVCSNQQPM-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)propyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 153.5
[M+Na]+ 262.10497 163.8
[M+NH4]+ 257.14957 159.8
[M+K]+ 278.07891 158.9
[M-H]- 238.10847 154.4
[M+Na-2H]- 260.09042 157.9
[M]+ 239.11520 154.9
[M]- 239.11630 154.9
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.