CID 35972

Adamantane, 1-(2-methylaminopropyl)-3,5,7-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C17H31N
SMILES
CC(CC12CC3(CC(C1)(CC(C3)(C2)C)C)C)NC
InChI
InChI=1S/C17H31N/c1-13(18-5)6-17-10-14(2)7-15(3,11-17)9-16(4,8-14)12-17/h13,18H,6-12H2,1-5H3
InChIKey
RRLFJPWWFHLNKV-UHFFFAOYSA-N
Compound name
N-methyl-1-(3,5,7-trimethyl-1-adamantyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.24565 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.25293 167.9
[M+Na]+ 272.23487 170.9
[M-H]- 248.23837 163.1
[M+NH4]+ 267.27947 197.2
[M+K]+ 288.20881 166.5
[M+H-H2O]+ 232.24291 160.3
[M+HCOO]- 294.24385 173.0
[M+CH3COO]- 308.25950 175.5
[M+Na-2H]- 270.22032 177.6
[M]+ 249.24510 168.4
[M]- 249.24620 168.4
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.