CID 3058656

75463-33-1

Structural Information

Molecular Formula
C17H25N
SMILES
CC(C)CCNC1CCC2=C1C=C3CCCC3=C2
InChI
InChI=1S/C17H25N/c1-12(2)8-9-18-17-7-6-15-10-13-4-3-5-14(13)11-16(15)17/h10-12,17-18H,3-9H2,1-2H3
InChIKey
IQQSCUDHFFKAPV-UHFFFAOYSA-N
Compound name
N-(3-methylbutyl)-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 161.8
[M+Na]+ 266.18792 166.9
[M-H]- 242.19142 166.4
[M+NH4]+ 261.23252 184.7
[M+K]+ 282.16186 162.6
[M+H-H2O]+ 226.19596 156.0
[M+HCOO]- 288.19690 181.9
[M+CH3COO]- 302.21255 199.2
[M+Na-2H]- 264.17337 162.3
[M]+ 243.19815 160.0
[M]- 243.19925 160.0
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.