CID 3844908

51717-61-4

Structural Information

Molecular Formula
C15H21NS
SMILES
C1C2CC3CC1CC(C2)(C3)NCC4=CC=CS4
InChI
InChI=1S/C15H21NS/c1-2-14(17-3-1)10-16-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13,16H,4-10H2
InChIKey
KECORQYFDOTJGD-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

247.13947 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14675 150.1
[M+Na]+ 270.12869 152.4
[M-H]- 246.13219 148.2
[M+NH4]+ 265.17329 176.3
[M+K]+ 286.10263 148.5
[M+H-H2O]+ 230.13673 144.6
[M+HCOO]- 292.13767 155.7
[M+CH3COO]- 306.15332 159.1
[M+Na-2H]- 268.11414 159.2
[M]+ 247.13892 151.8
[M]- 247.14002 151.8
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