CID 53042

N-(2-adamantyl)formamide hydrochloride

Structural Information

Molecular Formula
C11H17NO
SMILES
C1C2CC3CC1CC(C2)C3NC=O
InChI
InChI=1S/C11H17NO/c13-6-12-11-9-2-7-1-8(4-9)5-10(11)3-7/h6-11H,1-5H2,(H,12,13)
InChIKey
SXYGFWZEAKCCIZ-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

179.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 137.4
[M+Na]+ 202.12023 139.4
[M-H]- 178.12373 133.0
[M+NH4]+ 197.16483 162.2
[M+K]+ 218.09417 136.8
[M+H-H2O]+ 162.12827 132.1
[M+HCOO]- 224.12921 146.7
[M+CH3COO]- 238.14486 146.9
[M+Na-2H]- 200.10568 148.6
[M]+ 179.13046 136.7
[M]- 179.13156 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe