CID 27553

15918-89-5

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=CC2=C(C=C1)NC3=C2CCNCC3
InChI
InChI=1S/C13H16N2/c1-9-2-3-12-11(8-9)10-4-6-14-7-5-13(10)15-12/h2-3,8,14-15H,4-7H2,1H3
InChIKey
FVLVZXBWCQAPAT-UHFFFAOYSA-N
Compound name
9-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 143.6
[M+Na]+ 223.12057 151.2
[M-H]- 199.12407 145.4
[M+NH4]+ 218.16517 162.0
[M+K]+ 239.09451 148.5
[M+H-H2O]+ 183.12861 137.4
[M+HCOO]- 245.12955 160.0
[M+CH3COO]- 259.14520 154.9
[M+Na-2H]- 221.10602 149.3
[M]+ 200.13080 137.3
[M]- 200.13190 137.3
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