CID 28606

Alpha-fenchyl alcohol methylcarbamate

Structural Information

Molecular Formula
C12H21NO2
SMILES
CC1(C2CCC(C2)(C1OC(=O)NC)C)C
InChI
InChI=1S/C12H21NO2/c1-11(2)8-5-6-12(3,7-8)9(11)15-10(14)13-4/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKey
LZEAAJFXCGXOBU-UHFFFAOYSA-N
Compound name
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 149.3
[M+Na]+ 234.146448 156.9
[M-H]- 210.149954 152.4
[M+NH4]+ 229.191053 177.3
[M+K]+ 250.120388 155.1
[M+H-H2O]+ 194.154490 146.5
[M+HCOO]- 256.155431 170.1
[M+CH3COO]- 270.171081 189.6
[M+Na-2H]- 232.131896 152.9
[M]+ 211.15668142 150.2
[M]- 211.15777858 150.2
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.