CID 367267

Nsc636816

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1C2CC3CC1CC(C2)C3NC(=O)CC#N
InChI
InChI=1S/C13H18N2O/c14-2-1-12(16)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,1,3-7H2,(H,15,16)
InChIKey
FKXNHOSUDRFAFL-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 152.0
[M+Na]+ 241.13112 157.5
[M-H]- 217.13462 148.5
[M+NH4]+ 236.17572 173.3
[M+K]+ 257.10506 148.8
[M+H-H2O]+ 201.13916 141.8
[M+HCOO]- 263.14010 158.1
[M+CH3COO]- 277.15575 159.7
[M+Na-2H]- 239.11657 160.5
[M]+ 218.14135 146.9
[M]- 218.14245 146.9
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.