CID 218952

M.g. 6351

Structural Information

Molecular Formula
C16H19NO2
SMILES
C#CCC1(CCC(CC1)C2=CC=CC=C2)NC(=O)O
InChI
InChI=1S/C16H19NO2/c1-2-10-16(17-15(18)19)11-8-14(9-12-16)13-6-4-3-5-7-13/h1,3-7,14,17H,8-12H2,(H,18,19)
InChIKey
KCRXXFUQNUJCIZ-UHFFFAOYSA-N
Compound name
(4-phenyl-1-prop-2-ynylcyclohexyl)carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 165.6
[M+Na]+ 280.13079 172.8
[M-H]- 256.13429 168.2
[M+NH4]+ 275.17539 180.9
[M+K]+ 296.10473 165.7
[M+H-H2O]+ 240.13883 153.2
[M+HCOO]- 302.13977 178.9
[M+CH3COO]- 316.15542 200.7
[M+Na-2H]- 278.11624 167.5
[M]+ 257.14102 155.1
[M]- 257.14212 155.1
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.