CID 43512150

N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Structural Information

Molecular Formula
C15H21NO
SMILES
CC1=CC2=C(C=C1C)OCCCC2NC3CC3
InChI
InChI=1S/C15H21NO/c1-10-8-13-14(16-12-5-6-12)4-3-7-17-15(13)9-11(10)2/h8-9,12,14,16H,3-7H2,1-2H3
InChIKey
ORVVMJGKUGZUAA-UHFFFAOYSA-N
Compound name
N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 144.7
[M+Na]+ 254.15153 150.9
[M-H]- 230.15503 154.2
[M+NH4]+ 249.19613 157.0
[M+K]+ 270.12547 152.7
[M+H-H2O]+ 214.15957 139.0
[M+HCOO]- 276.16051 164.3
[M+CH3COO]- 290.17616 156.5
[M+Na-2H]- 252.13698 150.6
[M]+ 231.16176 143.3
[M]- 231.16286 143.3
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

No patent data available for this compound.