CID 35998

3-(adamantan-1-yl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H23N
SMILES
C1C2CC3CC1CC(C2)(C3)CCCN
InChI
InChI=1S/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2
InChIKey
HNXIGOCDOCHMQV-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

6
Patents

193.18304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 147.9
[M+Na]+ 216.17226 149.3
[M-H]- 192.17576 142.6
[M+NH4]+ 211.21686 173.8
[M+K]+ 232.14620 145.5
[M+H-H2O]+ 176.18030 141.8
[M+HCOO]- 238.18124 155.4
[M+CH3COO]- 252.19689 156.3
[M+Na-2H]- 214.15771 158.0
[M]+ 193.18249 145.9
[M]- 193.18359 145.9
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.