CID 342521

Nsc379502

Structural Information

Molecular Formula
C16H32N2O2
SMILES
CC1(CCCC1NCCNC2CCCC2(C)CO)CO
InChI
InChI=1S/C16H32N2O2/c1-15(11-19)7-3-5-13(15)17-9-10-18-14-6-4-8-16(14,2)12-20/h13-14,17-20H,3-12H2,1-2H3
InChIKey
LBNBPYQPTNKLFN-UHFFFAOYSA-N
Compound name
[2-[2-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]ethylamino]-1-methylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

284.24637 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.25365 168.0
[M+Na]+ 307.23559 170.4
[M-H]- 283.23909 170.8
[M+NH4]+ 302.28019 189.0
[M+K]+ 323.20953 166.8
[M+H-H2O]+ 267.24363 163.1
[M+HCOO]- 329.24457 186.7
[M+CH3COO]- 343.26022 200.3
[M+Na-2H]- 305.22104 168.3
[M]+ 284.24582 162.8
[M]- 284.24692 162.8
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.