CID 146049653

2413864-26-1

Structural Information

Molecular Formula
C14H19NO
SMILES
C1[C@H]2CC([C@H]2CC1OCC3=CC=CC=C3)N
InChI
InChI=1S/C14H19NO/c15-14-7-11-6-12(8-13(11)14)16-9-10-4-2-1-3-5-10/h1-5,11-14H,6-9,15H2/t11-,12?,13-,14?/m0/s1
InChIKey
PKZSNCYRHNOSQL-AHPWVWPOSA-N
Compound name
(1R,5S)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 145.3
[M+Na]+ 240.13589 150.1
[M-H]- 216.13939 151.9
[M+NH4]+ 235.18049 159.7
[M+K]+ 256.10983 149.8
[M+H-H2O]+ 200.14393 134.0
[M+HCOO]- 262.14487 166.3
[M+CH3COO]- 276.16052 193.9
[M+Na-2H]- 238.12134 148.3
[M]+ 217.14612 151.4
[M]- 217.14722 151.4
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.