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

81
Patents

338.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 182.1
[M+Na]+ 361.188648 186.8
[M-H]- 337.192154 186.0
[M+NH4]+ 356.233253 198.6
[M+K]+ 377.162588 181.5
[M+H-H2O]+ 321.196690 174.2
[M+HCOO]- 383.197631 204.0
[M+CH3COO]- 397.213281 216.7
[M+Na-2H]- 359.174096 185.0
[M]+ 338.19888142 184.1
[M]- 338.19997858 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