CID 55285147

(4,4-dimethylpyrrolidin-2-yl)methanol

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(C[C@H](NC1)CO)C
InChI
InChI=1S/C7H15NO/c1-7(2)3-6(4-9)8-5-7/h6,8-9H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
DJIQDHXAMYMRRC-LURJTMIESA-N
Compound name
[(2S)-4,4-dimethylpyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.8
[M+Na]+ 152.104588 135.9
[M-H]- 128.108094 128.3
[M+NH4]+ 147.149193 152.1
[M+K]+ 168.078528 134.0
[M+H-H2O]+ 112.112630 124.4
[M+HCOO]- 174.113571 147.7
[M+CH3COO]- 188.129221 166.2
[M+Na-2H]- 150.090036 133.2
[M]+ 129.11482142 124.6
[M]- 129.11591858 124.6
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