CID 2794279

352351-56-5

Structural Information

Molecular Formula
C21H26N2O2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCCN
InChI
InChI=1S/C21H26N2O2/c22-13-7-1-2-8-14-23-21(24)25-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,1-2,7-8,13-15,22H2,(H,23,24)
InChIKey
IRXOHINXQUNLTD-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(6-aminohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

338.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 182.1
[M+Na]+ 361.18865 186.8
[M-H]- 337.19215 186.0
[M+NH4]+ 356.23325 198.6
[M+K]+ 377.16259 181.5
[M+H-H2O]+ 321.19669 174.2
[M+HCOO]- 383.19763 204.0
[M+CH3COO]- 397.21328 216.7
[M+Na-2H]- 359.17410 185.0
[M]+ 338.19888 184.1
[M]- 338.19998 184.1
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