CID 154853463

(1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)methanol

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1COCC2=C(N1)C=CC(=C2)CO
InChI
InChI=1S/C10H13NO2/c12-6-8-1-2-10-9(5-8)7-13-4-3-11-10/h1-2,5,11-12H,3-4,6-7H2
InChIKey
OBTXLYQAYTYQTI-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrahydro-4,1-benzoxazepin-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 133.6
[M+Na]+ 202.08386 138.6
[M-H]- 178.08736 135.6
[M+NH4]+ 197.12846 149.6
[M+K]+ 218.05780 140.5
[M+H-H2O]+ 162.09190 128.1
[M+HCOO]- 224.09284 149.7
[M+CH3COO]- 238.10849 145.0
[M+Na-2H]- 200.06931 141.5
[M]+ 179.09409 127.6
[M]- 179.09519 127.6
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

No patent data available for this compound.