CID 3050999

Usaf la-5

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCOC(=O)NNC(C)(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C12H18N2O3/c1-4-17-11(16)13-14-12(2,3)9-5-7-10(15)8-6-9/h5-8,14-15H,4H2,1-3H3,(H,13,16)
InChIKey
BJBMMZWDNOXZGI-UHFFFAOYSA-N
Compound name
ethyl N-[2-(4-hydroxyphenyl)propan-2-ylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.4
[M+Na]+ 261.12096 159.7
[M-H]- 237.12446 156.6
[M+NH4]+ 256.16556 170.9
[M+K]+ 277.09490 158.1
[M+H-H2O]+ 221.12900 148.0
[M+HCOO]- 283.12994 176.8
[M+CH3COO]- 297.14559 194.1
[M+Na-2H]- 259.10641 160.0
[M]+ 238.13119 154.7
[M]- 238.13229 154.7
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.