CID 50406

69353-07-7

Structural Information

Molecular Formula
C7H15NO3
SMILES
CCC(C)OCCOC(=O)N
InChI
InChI=1S/C7H15NO3/c1-3-6(2)10-4-5-11-7(8)9/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKey
SLGSDYVXBQZUNN-UHFFFAOYSA-N
Compound name
2-butan-2-yloxyethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 136.5
[M+Na]+ 184.09442 142.3
[M-H]- 160.09792 136.1
[M+NH4]+ 179.13902 156.7
[M+K]+ 200.06836 143.1
[M+H-H2O]+ 144.10246 131.1
[M+HCOO]- 206.10340 159.3
[M+CH3COO]- 220.11905 180.4
[M+Na-2H]- 182.07987 139.6
[M]+ 161.10465 138.5
[M]- 161.10575 138.5
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

patents stripe