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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.6
[M+Na]+ 222.11007 152.9
[M-H]- 198.11357 147.3
[M+NH4]+ 217.15467 169.5
[M+K]+ 238.08401 151.6
[M+H-H2O]+ 182.11811 141.3
[M+HCOO]- 244.11905 163.8
[M+CH3COO]- 258.13470 180.6
[M+Na-2H]- 220.09552 146.8
[M]+ 199.12030 144.4
[M]- 199.12140 144.4
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