CID 3604460

Tert-butyl 2-hydroxypropanoate

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C(=O)OC(C)(C)C)O
InChI
InChI=1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3
InChIKey
IXXMVXXFAJGOQO-UHFFFAOYSA-N
Compound name
tert-butyl 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1299
Patents

146.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.3
[M+Na]+ 169.08352 138.2
[M-H]- 145.08702 130.6
[M+NH4]+ 164.12812 152.4
[M+K]+ 185.05746 139.0
[M+H-H2O]+ 129.09156 127.7
[M+HCOO]- 191.09250 150.8
[M+CH3COO]- 205.10815 173.2
[M+Na-2H]- 167.06897 135.7
[M]+ 146.09375 132.8
[M]- 146.09485 132.8
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

patents stripe