CID 198180

Gr 858

Structural Information

Molecular Formula

SMILES

CC1CC2CCC(C2N1C)O

InChI

InChI=1S/C9H17NO/c1-6-5-7-3-4-8(11)9(7)10(6)2/h6-9,11H,3-5H2,1-2H3

InChIKey

ZSBAGZBNKFKKQB-UHFFFAOYSA-N

Compound name

1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 155.13101 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	156.138286	136.5
[M+Na]+	178.120228	144.4
[M-H]-	154.123734	138.4
[M+NH4]+	173.164833	160.7
[M+K]+	194.094168	142.3
[M+H-H2O]+	138.128270	131.8
[M+HCOO]-	200.129211	155.4
[M+CH3COO]-	214.144861	175.8
[M+Na-2H]-	176.105676	137.3
[M]+	155.13046142	133.5
[M]-	155.13155858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.