CID 4484216

Neotussilagine

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC1(CN2CCCC2C1C(=O)OC)O

InChI

InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3

InChIKey

LADVYSUMGRTFSZ-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 57
Patents: 199.12085 Da
Monoisotopic Mass: 0.6
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]+	200.12813	145.4
[M+Na]+	222.11007	152.6
[M+NH4]+	217.15467	154.1
[M+K]+	238.08401	150.6
[M-H]-	198.11357	144.2
[M+Na-2H]-	220.09552	147.1
[M]+	199.12030	145.8
[M]-	199.12140	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe