CID 38937

2-(3-methylaminopropylidene)adamantane hydrochloride

Structural Information

Molecular Formula
C14H23N
SMILES
CNCCC=C1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C14H23N/c1-15-4-2-3-14-12-6-10-5-11(8-12)9-13(14)7-10/h3,10-13,15H,2,4-9H2,1H3
InChIKey
PLAAGZRTSKLAQX-UHFFFAOYSA-N
Compound name
3-(2-adamantylidene)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.18304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.190316 148.9
[M+Na]+ 228.172258 149.7
[M-H]- 204.175764 143.9
[M+NH4]+ 223.216863 172.8
[M+K]+ 244.146198 145.8
[M+H-H2O]+ 188.180300 143.1
[M+HCOO]- 250.181241 156.9
[M+CH3COO]- 264.196891 157.1
[M+Na-2H]- 226.157706 158.2
[M]+ 205.18249142 147.4
[M]- 205.18358858 147.4
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.