CID 68006213

1268842-81-4

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C)OC(=O)C1(CC1)CO
InChI
InChI=1S/C9H16O3/c1-8(2,3)12-7(11)9(6-10)4-5-9/h10H,4-6H2,1-3H3
InChIKey
NWNFJDMTURMKCB-UHFFFAOYSA-N
Compound name
tert-butyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

172.10994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 138.8
[M+Na]+ 195.09916 147.6
[M-H]- 171.10266 142.4
[M+NH4]+ 190.14376 155.9
[M+K]+ 211.07310 146.7
[M+H-H2O]+ 155.10720 135.1
[M+HCOO]- 217.10814 158.6
[M+CH3COO]- 231.12379 179.9
[M+Na-2H]- 193.08461 145.2
[M]+ 172.10939 143.4
[M]- 172.11049 143.4
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