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
2
Annotation Hits

3
References

2
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

literature stripe

Patent stripe

patents stripe