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]+ 158.153946 139.2
[M+Na]+ 180.135888 144.2
[M-H]- 156.139394 138.0
[M+NH4]+ 175.180493 161.0
[M+K]+ 196.109828 142.3
[M+H-H2O]+ 140.143930 134.2
[M+HCOO]- 202.144871 156.4
[M+CH3COO]- 216.160521 171.9
[M+Na-2H]- 178.121336 141.9
[M]+ 157.14612142 134.6
[M]- 157.14721858 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