CID 13103194

88384-35-4

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CN(C)CCC(C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)N
InChI
InChI=1S/C12H17N3O4/c1-14(2)8-7-11(19-12(13)16)9-3-5-10(6-4-9)15(17)18/h3-6,11H,7-8H2,1-2H3,(H2,13,16)
InChIKey
XRPLDHXLKYNUMU-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-1-(4-nitrophenyl)propyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 159.3
[M+Na]+ 290.11114 163.1
[M-H]- 266.11464 163.4
[M+NH4]+ 285.15574 174.3
[M+K]+ 306.08508 159.2
[M+H-H2O]+ 250.11918 156.3
[M+HCOO]- 312.12012 184.5
[M+CH3COO]- 326.13577 199.2
[M+Na-2H]- 288.09659 162.8
[M]+ 267.12137 158.8
[M]- 267.12247 158.8
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.