CID 75488627

[2-(2-methylpropyl)pyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)CC1(CCCN1)CO
InChI
InChI=1S/C9H19NO/c1-8(2)6-9(7-11)4-3-5-10-9/h8,10-11H,3-7H2,1-2H3
InChIKey
KWJAQKNXBIWDPO-UHFFFAOYSA-N
Compound name
[2-(2-methylpropyl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 139.2
[M+Na]+ 180.13589 144.2
[M-H]- 156.13939 138.0
[M+NH4]+ 175.18049 161.0
[M+K]+ 196.10983 142.3
[M+H-H2O]+ 140.14393 134.2
[M+HCOO]- 202.14487 156.4
[M+CH3COO]- 216.16052 171.9
[M+Na-2H]- 178.12134 141.9
[M]+ 157.14612 134.6
[M]- 157.14722 134.6
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