CID 98190

Spiro(2.4)heptan-4-ol, carbanilate

Structural Information

Molecular Formula
C14H17NO2
SMILES
C1CC(C2(C1)CC2)OC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C14H17NO2/c16-13(15-11-5-2-1-3-6-11)17-12-7-4-8-14(12)9-10-14/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKey
MHTOTGKLDPSBIU-UHFFFAOYSA-N
Compound name
spiro[2.4]heptan-7-yl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 150.3
[M+Na]+ 254.11515 157.5
[M-H]- 230.11865 159.4
[M+NH4]+ 249.15975 166.7
[M+K]+ 270.08909 154.8
[M+H-H2O]+ 214.12319 144.2
[M+HCOO]- 276.12413 173.2
[M+CH3COO]- 290.13978 191.6
[M+Na-2H]- 252.10060 155.3
[M]+ 231.12538 150.4
[M]- 231.12648 150.4
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

No patent data available for this compound.