CID 64815103

3-(adamantan-1-yl)-3-aminopropan-1-ol hydrochloride

Structural Information

Molecular Formula
C13H23NO
SMILES
C1C2CC3CC1CC(C2)(C3)C(CCO)N
InChI
InChI=1S/C13H23NO/c14-12(1-2-15)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,15H,1-8,14H2
InChIKey
UKLLGFBFAZHYMR-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)-3-aminopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

209.17796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 152.4
[M+Na]+ 232.16718 153.0
[M-H]- 208.17068 145.5
[M+NH4]+ 227.21178 176.8
[M+K]+ 248.14112 149.6
[M+H-H2O]+ 192.17522 147.0
[M+HCOO]- 254.17616 157.4
[M+CH3COO]- 268.19181 159.8
[M+Na-2H]- 230.15263 161.2
[M]+ 209.17741 149.6
[M]- 209.17851 149.6
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

patents stripe