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]+ 268.129196 159.3
[M+Na]+ 290.111138 163.1
[M-H]- 266.114644 163.4
[M+NH4]+ 285.155743 174.3
[M+K]+ 306.085078 159.2
[M+H-H2O]+ 250.119180 156.3
[M+HCOO]- 312.120121 184.5
[M+CH3COO]- 326.135771 199.2
[M+Na-2H]- 288.096586 162.8
[M]+ 267.12137142 158.8
[M]- 267.12246858 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.