CID 3077921

8-(isopropylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)NC1C2C3CC4C1C5C2CC3C45
InChI
InChI=1S/C14H21N/c1-5(2)15-14-11-7-4-8-10-6(7)3-9(11)12(10)13(8)14/h5-15H,3-4H2,1-2H3
InChIKey
QMFLPVIECLVEOI-UHFFFAOYSA-N
Compound name
N-propan-2-ylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.1674 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 155.6
[M+Na]+ 226.156618 159.7
[M-H]- 202.160124 159.3
[M+NH4]+ 221.201223 179.7
[M+K]+ 242.130558 159.2
[M+H-H2O]+ 186.164660 149.8
[M+HCOO]- 248.165601 170.9
[M+CH3COO]- 262.181251 166.8
[M+Na-2H]- 224.142066 153.9
[M]+ 203.16685142 166.2
[M]- 203.16794858 166.2
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